N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide

C15H16N2O4S — CID 6908544

IUPACN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(/C=N/NS(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C15H16N2O4S/c1-20-13-9-8-12(15(10-13)21-2)11-16-17-22(18,19)14-6-4-3-5-7-14/h3-11,17H,1-2H3/b16-11+
InChIKeySCMHVBRZOWOEGT-LFIBNONCSA-N
MW320.37 g/mol
LogP2.02
Rot. Bonds6

About N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide

N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 6908544) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID6908544
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(/C=N/NS(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C15H16N2O4S/c1-20-13-9-8-12(15(10-13)21-2)11-16-17-22(18,19)14-6-4-3-5-7-14/h3-11,17H,1-2H3/b16-11+
InChIKeySCMHVBRZOWOEGT-LFIBNONCSA-N
XLogP2.02
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-chloro-5-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 25169959
N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1001980
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1001778
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516755
3,4-dimethoxy-N-[(E)-(2-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517450
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide
CID 110517257
2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110516616
N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643075
N-[(E)-(2-fluorophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516512
(Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide
CID 92856946
3,4-dichloro-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516191
N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 6116874

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide (CID 6908544) is N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide is COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is SCMHVBRZOWOEGT-LFIBNONCSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-20-13-9-8-12(15(10-13)21-2)11-16-17-22(18,19)14-6-4-3-5-7-14/h3-11,17H,1-2H3/b16-11+.
What are the key properties of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide?
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 320.37 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 6908544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).